3-methyl-4H-pyridin-4-ide;vanadium(2+)

C6H6NV+ — CID 20800681

IUPAC3-methyl-4H-pyridin-4-ide;vanadium(2+)
SMILESCc1[c-]ccnc1.[V+2]
InChIInChI=1S/C6H6N.V/c1-6-3-2-4-7-5-6;/h2,4-5H,1H3;/q-1;+2
InChIKeyNJQFPJKGBHDWEU-UHFFFAOYSA-N
MW143.06 g/mol
LogP1.19
Rot. Bonds

About 3-methyl-4H-pyridin-4-ide;vanadium(2+)

3-methyl-4H-pyridin-4-ide;vanadium(2+) (PubChem CID 20800681) has the molecular formula C6H6NV+ and a molecular weight of 143.06 g/mol. Its IUPAC name is 3-methyl-4H-pyridin-4-ide;vanadium(2+).

Molecular Properties

Compound Name3-methyl-4H-pyridin-4-ide;vanadium(2+)
PubChem CID20800681
Molecular FormulaC6H6NV+
Molecular Weight143.06 g/mol
Exact Mass142.99
IUPAC Name3-methyl-4H-pyridin-4-ide;vanadium(2+)
SMILESCc1[c-]ccnc1.[V+2]
InChIInChI=1S/C6H6N.V/c1-6-3-2-4-7-5-6;/h2,4-5H,1H3;/q-1;+2
InChIKeyNJQFPJKGBHDWEU-UHFFFAOYSA-N
XLogP1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyridin-4-ide;vanadium(2+)?
The IUPAC name of 3-methyl-4H-pyridin-4-ide;vanadium(2+) (CID 20800681) is 3-methyl-4H-pyridin-4-ide;vanadium(2+).
What is the SMILES notation for 3-methyl-4H-pyridin-4-ide;vanadium(2+)?
The canonical SMILES for 3-methyl-4H-pyridin-4-ide;vanadium(2+) is Cc1[c-]ccnc1.[V+2].
What is the InChIKey of 3-methyl-4H-pyridin-4-ide;vanadium(2+)?
The InChIKey is NJQFPJKGBHDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.V/c1-6-3-2-4-7-5-6;/h2,4-5H,1H3;/q-1;+2.
What are the key properties of 3-methyl-4H-pyridin-4-ide;vanadium(2+)?
3-methyl-4H-pyridin-4-ide;vanadium(2+) has a molecular weight of 143.06 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyridin-4-ide;vanadium(2+) is sourced from PubChem (CID 20800681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).